RefChem:446417
TL;DR: RefChem:446417 (CAS 66214-51-5) is a chemical compound with molecular formula C34H25N6Na3O11S3 and molecular weight 858.04364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trisodium;5-amino-3-[[4-[4-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4'-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-amino-3-((4'-((8-hydroxy-6-sulfo-2-amino-7-naphthalenyl)azo))(3,3'-dimethyl)(1,1'-biphenyl)-4-yl)azo-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 5-amino-3-((4'-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 5-amino-3-(2-(4'-(2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, sodium salt (1:3), 2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4'-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:3)
Technical Specifications
| Molecular Formula | C34H25N6Na3O11S3 |
| Molecular Weight | 858.04364 g/mol |
| XLogP | -2.59 |
| Topological Polar Surface Area (TPSA) | 339.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 5 |
| Exact Mass | 858.04364 Da |
| Heavy Atoms | 57 |
| Complexity | 1680.0 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)[O-])C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+] |
| InChIKey | BHSJRCQNCOQCIC-UHFFFAOYSA-K |
Chemical Property Profile of RefChem:446417
Property Insights of RefChem:446417
The XLogP value of -2.59 indicates that RefChem:446417 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 339.0 Ų indicates high polarity, suggesting RefChem:446417 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446417 has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:446417?
The CAS number of RefChem:446417 is 66214-51-5.
What is the molecular formula of RefChem:446417?
The molecular formula of RefChem:446417 is C34H25N6Na3O11S3.
What is the molecular weight of RefChem:446417?
The molecular weight of RefChem:446417 is 858.04364 g/mol.
Where can I buy RefChem:446417?
You can request a quote for RefChem:446417 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:446417?
Yes, CoreyChem provides custom synthesis services for RefChem:446417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.